UCSF

ZINC13738426

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 21 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.69 9.85 -33.59 1 3 1 31 292.374 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0644775A1; EP0644775B1; EP0905135A2; US5380848; US5864038; US5888475 IBM Patent Data

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )